SCHEMBL4364496

SCHEMBL4364496

Cc1nc2cc(F)c(N3CCOCC3)cc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.47
ALDH1A1 P00352 5/20 0.46
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
GLA P06280 1/20 0.45
RAB9A P51151 1/20 0.45
PDE3B Q13370 3/20 0.42
PDE3A Q14432 3/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 2/20 0.40
APAF1 O14727 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4377425 0.95 ALDH1A1 (0.46) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL4373847 0.86 IP6K1 (0.48) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL4365201 0.81 ALDH1A1 (0.46) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL3425354 0.80 IP6K1 (0.41) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL18643544 0.77 STAT3 (0.61) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL4368274 0.76 KDM4E (0.62) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL23412388 0.74 PARP1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL29723102 0.74 PARP1 (0.45) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL9252606 0.73 KDM4E (0.58) IP6K1ALDH1A1MAPTHPGDGAA
SCHEMBL4373882 0.73 ALDH1A1 (0.40) IP6K1ALDH1A1MAPTGAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
WO-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 WO disclosed
WO-2008113161-A1 PHOSPHATE PRODRUGS OF QUINAZOLINYL NITROFURANS, METHODS OF OBTAINING, AND USE OF SAME ULYSSES PHARMACEUTICAL PRODUCTS INC. (CA) 2008-09-25 WO disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS HRH3, HRH1, NQO2 IP6K1 4784/4885ALDH1A1 1414/4885MAPT 4864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.